NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.5875 8.2993 119.9905 56.3191 33.1514 174.8344 2 W 4.3824 7.8862 116.3254 57.0144 29.8141 178.5259 3 Y 4.8572 5.5018 119.1637 56.9225 39.6272 180.5735 4 F 3.8477 8.5321 110.9715 59.4901 39.1397 177.4259 5 R 3.3257 6.8768 119.4354 57.3660 30.6003 177.2332 6 V 3.5086 7.6553 113.1223 62.8149 30.0987 173.2701 7 Y 5.0058 7.9634 115.8657 57.9089 40.5078 175.4169 8 Y 4.6035 8.2232 119.1635 55.2948 40.6767 175.3310 9 R 3.9428 7.7683 115.1569 57.3105 29.7875 175.0511 10 G 3.6299 8.7897 114.0621 45.9992 0.0000 174.7572 11 I 3.7757 7.8715 121.6297 63.0233 37.1131 175.1692 12 Y 3.5551 7.6056 118.2159 58.6583 37.5666 170.7137 13 Y 4.5258 8.7830 117.7826 59.0020 38.6697 176.3631 14 R 4.1537 7.1145 117.3922 55.6814 30.5355 176.2194 15 R 4.2679 7.2475 114.8227 55.5405 30.6990 175.6299 16 Y 3.9825 7.9545 119.2031 58.7199 39.3382 175.9288 17 R 4.1777 8.4759 124.7768 56.8729 30.2443 175.9546 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.30 4.59 0.00 2.03 2.01 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 2 W 7.89 4.38 0.00 3.61 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 5.50 4.86 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.53 3.85 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 6.88 3.33 0.00 0.73 0.66 0.00 2.21 0.00 0.00 2.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 6 V 7.66 3.51 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.01 0.00 0.00 7 Y 7.96 5.01 0.00 2.96 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.22 4.60 0.00 2.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.77 3.94 0.00 1.78 2.19 0.00 2.82 0.00 0.00 2.96 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.07 0.00 10 G 8.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.87 3.78 1.87 0.00 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.57 1.11 0.00 0.00 12 Y 7.61 3.56 0.00 3.43 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.78 4.53 0.00 3.39 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.11 4.15 0.00 0.70 1.54 0.00 3.07 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 15 R 7.25 4.27 0.00 0.67 0.97 0.00 3.17 0.00 0.00 2.99 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.17 0.00 16 Y 7.95 3.98 0.00 2.76 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.48 4.18 0.00 2.02 1.90 0.00 3.42 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00